2-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-6901 |
| Compound Name: | 2-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 352.35 |
| Molecular Formula: | C18 H16 N4 O4 |
| Smiles: | C1CCc2c(c3cc4c(cc3[N+]([O-])=O)OCO4)c(C#N)c(N)nc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6651 |
| logD: | 3.6649 |
| logSw: | -4.3762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.284 |
| InChI Key: | ZKFYCCDMGDJNBT-UHFFFAOYSA-N |